(Q104921881)

English

methyl (1S,3S,4S,5'S,9R,10R)-3-acetyloxy-5'-(furan-3-yl)-10-methyl-2'-oxospiro[2-oxatricyclo[6.3.1.04,12]dodec-8(12)-ene-9,3'-oxolane]-4-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

Methyl 3-acetyloxy-5'-(furan-3-yl)-10-methyl-2'-oxospiro[2-oxatricyclo[6.3.1.04,12]dodec-8(12)-ene-9,3'-oxolane]-4-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

430.162767792 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

methyl (1S,3R,4S,5'S,9R,10R)-3-acetyloxy-5'-(furan-3-yl)-10-methyl-2'-oxospiro[2-oxatricyclo[6.3.1.04,12]dodec-8(12)-ene-9,3'-oxolane]-4-carboxylate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₃H₂₆O₈

0 references

canonical SMILES

O=C(OC1OC2C3=C(CCCC31C(=O)OC)C4(C(=O)OC(C5=COC=C5)C4)C(C)C2)C

0 references

isomeric SMILES

COC(=O)[C@@]12CCCC3=C1[C@H](C[C@@H](C)[C@]31C[C@@H](c3ccoc3)OC1=O)O[C@H]2OC(C)=O

0 references

found in taxon

Mallotus repandus

1 reference

stated in

Mallotucin C and D, Two Diterpenic Lactones from Mallotus repandus

Identifiers

InChI

InChI=1S/C23H26O8/c1-12-9-16-18-15(23(12)10-17(30-20(23)26)14-6-8-28-11-14)5-4-7-22(18,19(25)27-3)21(31-16)29-13(2)24/h6,8,11-12,16-17,21H,4-5,7,9-10H2,1-3H3/t12-,16+,17+,21-,22-,23-/m1/s1

0 references

InChIKey

AZQXQJBTHHOQGP-DSNCRMKZSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AZQXQJBTHHOQGP-DSNCRMKZSA-N

(Q104921881)

methyl (1S,3S,4S,5'S,9R,10R)-3-acetyloxy-5'-(furan-3-yl)-10-methyl-2'-oxospiro[2-oxatricyclo[6.3.1.04,12]dodec-8(12)-ene-9,3'-oxolane]-4-carboxylate

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Identifiers

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